ethyl 4-cyano-5-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-(3-cyano-6-propylpyridin-2-yl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[2-[(3-cyano-6-propyl-2-pyridyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C22H24N4O3S2/c1-5-8-15-10-9-14(11-23)20(25-15)30-17(6-2)19(27)26-21-16(12-24)13(4)18(31-21)22(28)29-7-3/h9-10,17H,5-8H2,1-4H3,(H,26,27)